public override string ToString()
{
if (MZToleranceIsPPM)
{
return("m/z: " + MZ.ToString("0.0") + ", MZTolerance: " + MZTolerance.ToString("0.0") + " ppm");
}
return("m/z: " + MZ.ToString("0.0") + ", MZTolerance: " + MZTolerance.ToString("0.000") + " Da");
}
public override string ToString()
{
if (CustomSICPeak)
{
return("m/z " + MZ.ToString("0.00") + " (Custom SIC peak)");
}
return("m/z " + MZ.ToString("0.00"));
}
public override string ToString()
{
var data = new List <string> {
ID.ToString(),
MonoIsotopicMass.ToString("0.0000"),
MZ.ToString("0.0000"),
ChargeState.ToString(),
NormalizedElutionTime.ToString("0.000"),
Code
};
return(string.Join("; ", data));
}
public override string ToString()
{
var sb = new StringBuilder();
sb.Append(ID);
sb.Append("; ");
sb.Append(MonoIsotopicMass.ToString("0.0000"));
sb.Append("; ");
sb.Append(MZ.ToString("0.0000"));
sb.Append("; ");
sb.Append(ChargeState);
sb.Append("; ");
sb.Append(NormalizedElutionTime);
sb.Append("; ");
sb.Append(Code);
return(sb.ToString());
}
public override string GetValue(string fieldName)
{
switch (fieldName)
{
case Fields.Sequence:
return(Sequence);
case Fields.Accession:
return(Accession);
case Fields.Unique:
return(Unique ? "1" : "0");
case Fields.Database:
return(Database);
case Fields.DatabaseVersion:
return(DatabaseVersion);
case Fields.SearchEngine:
return(string.Join("|", SearchEngines));
case Fields.Reliability:
if (Reliability == MzTab.ReliabilityScore.NotSet)
{
return(MzTab.NullFieldText);
}
return(((int)Reliability).ToString());
case Fields.Modifications:
return(Modifications);
case Fields.RetentionTime:
return(string.Join("|", RetentionTime));
case Fields.Charge:
return(Charge.ToString());
case Fields.MZ:
return(MZ.ToString());
case Fields.Uri:
return(Uri.ToString());
case Fields.SpectraReference:
return(SpectraReference);
case Fields.RetentionTimeWindow:
return(string.Join("|", RetentionTimeWindows));
}
if (fieldName.Contains("["))
{
string condensedFieldName;
List <int> indices = MzTab.GetFieldIndicies(fieldName, out condensedFieldName);
switch (condensedFieldName)
{
case Fields.AbundanceAssay:
return(GetListValue(_abundanceAssays, indices[0]));
case Fields.AbundanceStudyVariable:
return(GetListValue(_abundanceStudyVariables, indices[0]));
case Fields.AbundanceStDevStudyVariable:
return(GetListValue(_abundanceStdevStudyVariables, indices[0]));
case Fields.AbudnanceStdErrorStudyVariable:
return(GetListValue(_abundanceStandardErrorStudyVariables, indices[0]));
case Fields.BestSearchEngineScore:
return(GetListValue(_bestSearchEngineScores, indices[0]));
}
}
if (fieldName.StartsWith(MzTab.OptionalColumnPrefix))
{
return(GetOptionalData(fieldName));
}
throw new ArgumentException("Unexpected field name: " + fieldName);
}
public override string ToString()
{
return("m/z: " + MZ.ToString("0.0000") + " ±" + MZToleranceDa.ToString("0.0000"));
}
